Molecular Properties | |
SMILES: | O=C(NCCOc1cc(Cl)cc(Oc2cccc(=O)[nH]2)c1)c1cc(=O)[nH]c2ccccc12 |
MW: | 451.09 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 113.28 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
ERI-UCB-ce40166b-15
0.717
ERI-UCB-ce40166b-20
0.698
ALP-POS-3fc1724e-2
0.649
ERI-UCB-ce40166b-17
0.649
NAU-LAT-a5c7d7cb-7
0.633
ERI-UCB-ce40166b-18
0.630
BEN-DND-7e92b6ca-5
0.598
ALP-POS-05819dc4-1
0.535
ERI-UCB-ce40166b-16
0.529
ALP-POS-3fc1724e-1
0.520
ERI-UCB-ce40166b-13
0.519
ERI-UCB-ce40166b-14
0.514
MAT-POS-916a2c5a-2
0.505
MAT-UCB-70f7c0f7-1
0.481
MAT-UCB-70f7c0f7-2
0.446
DAR-DIA-8e329c92-9
0.440
BEN-DND-7e92b6ca-4
0.438
BEN-DND-7e92b6ca-3
0.416
MAR-UCB-f313ec4d-4
0.413
DAR-DIA-8e329c92-10
0.410
ADA-UCB-b1b30a00-1
0.406
NAU-LAT-56d5284e-6
0.402
MAT-POS-590ac91e-42
0.398
DAR-DIA-8e329c92-11
0.385
JAN-GHE-82a280f8-3
0.378
DAR-DIA-8e329c92-12
0.377
NAU-LAT-56d5284e-4
0.376
ALP-UNI-ed5cdfd2-7
0.375
MAT-POS-9ff17035-2
0.374
NAU-LAT-56d5284e-7
0.374
MAT-POS-54c4bf04-1
0.370
MAT-POS-590ac91e-32
0.364
ERI-UCB-ce40166b-7
0.359
MAT-POS-590ac91e-53
0.352
DAR-DIA-8e329c92-6
0.351
MAT-UCB-70f7c0f7-4
0.345
EDJ-MED-edeb0d3a-2
0.345
MAT-POS-3b536971-1
0.345
JAN-GHE-82a280f8-2
0.342
EDJ-MED-edeb0d3a-1
0.342
BEN-DND-b89db3f2-5
0.342
DAR-DIA-8e329c92-13
0.339
EDJ-MED-6af13d92-3
0.336
KRI-MAR-d2e3ef86-15
0.336
DAR-DIA-8e329c92-4
0.336
VLA-UNK-eaa804fd-3
0.336
ALP-POS-fc6c627f-3
0.336
NAU-LAT-a5c7d7cb-9
0.333
ADA-UCB-b1b30a00-2
0.330
ERI-UCB-a0b0dbcb-12
0.330
ERI-UCB-d6de1f3c-1
0.330
ERI-UCB-a0b0dbcb-2
0.330
UNK-UNK-2ede4078-28
0.330
EDJ-MED-bbe8e3da-1
0.328
ALP-POS-ddb41b15-4
0.328
ALP-POS-bea7b391-1
0.328
NAU-LAT-56d5284e-1
0.327
KRI-MAR-d2e3ef86-12
0.327
DAR-DIA-8e329c92-5
0.325
ALP-UNI-ed5cdfd2-5
0.324
NAU-LAT-56d5284e-5
0.324
MAT-POS-590ac91e-47
0.323
MAT-POS-590ac91e-46
0.323
EDJ-MED-bbe8e3da-4
0.322
EDJ-MED-bbe8e3da-2
0.322
VLA-UCB-eb340134-4
0.321
EDJ-MED-bbe8e3da-3
0.319
MAT-UCB-70f7c0f7-3
0.319
ALP-UNI-ed5cdfd2-6
0.319
NAU-LAT-56d5284e-8
0.319
ALP-POS-ddb41b15-1
0.317
EDJ-MED-6af13d92-1
0.316
EDJ-MED-6af13d92-2
0.316
ALP-UNI-ed5cdfd2-4
0.315
BEN-DND-7e92b6ca-2
0.315
BEN-DND-7e92b6ca-15
0.315
DAR-DIA-8e329c92-7
0.314
ALP-POS-ddb41b15-3
0.314
VLA-UCB-eb340134-1
0.313
NAU-LAT-56d5284e-3
0.313
ALP-UNI-ed5cdfd2-8
0.312
NAU-LAT-56d5284e-2
0.312
DAR-DIA-8e329c92-8
0.312
ERI-UCB-a0b0dbcb-1
0.310
MAR-UCB-d1255a91-1
0.309
VLA-UCB-eb340134-3
0.308
ALP-POS-ddb41b15-2
0.306
MAR-UCB-d1255a91-2
0.306
DAR-DIA-53551c05-17
0.305
JAN-GHE-82a280f8-1
0.304
ERI-UCB-ce40166b-11
0.304
EDJ-MED-d1cd9639-1
0.299
MAT-POS-54c4bf04-4
0.299
MAT-POS-e1b5ac6b-1
0.299
ROB-UNI-daaf9793-1
0.299
DAR-DIA-53551c05-22
0.299
BEN-DND-7e92b6ca-12
0.298
MAR-UCB-f313ec4d-5
0.298
BEN-DND-7e92b6ca-7
0.297
ERI-UCB-d6de1f3c-8
0.297